SCHEMBL18456612

SCHEMBL18456612

CC[C@H]1OC(=O)[C@H](O)[C@@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.46
▸ PDPK1 O15530 2/20 0.44
▸ MTOR P42345 1/20 0.44
▸ TACR2 P21452 3/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ PLA2G6 O60733 2/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ CTRB1 P17538 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18456611 1.00 NAAA (0.46) NAAAPDPK1MTORTACR2IDO1
SCHEMBL18349644 0.85 NAAA (0.43) NAAAPDPK1MTORTACR2PLA2G6
SCHEMBL18080620 0.85 NAAA (0.43) NAAAPDPK1MTORTACR2IDO1
SCHEMBL16805385 0.85 NAAA (0.43) NAAAPDPK1MTORTACR2IDO1
SCHEMBL24465178 0.84 BCHE (0.48) PDPK1MTORTACR2SLC6A2CTRB1
SCHEMBL147364 0.84 BCHE (0.45) NAAAPDPK1MTORTACR2IDO1
SCHEMBL18797793 0.84 BCHE (0.48) PDPK1MTORTACR2SLC6A2CTRB1
SCHEMBL18815483 0.84 BCHE (0.48) PDPK1MTORTACR2SLC6A2CTRB1
SCHEMBL18817807 0.84 BCHE (0.48) PDPK1MTORTACR2SLC6A2CTRB1
SCHEMBL18522464 0.82 NAAA (0.41) NAAAPDPK1MTORTACR2IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328832-B1 FUCOSIDASE INHIBITORS HORIZON ORPHAN LLC (US) 2021-03-03 — — EP disclosed
WO-2017019925-A1 FUCOSIDASE INHIBITORS RAPTOR PHARMACEUTICALS INC. (US) 2017-02-02 — — WO disclosed
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